CID 52053

73664-46-7

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

CC(=O)N(C1=CC=CC=N1)C2=CC=CC=N2

InChI

InChI=1S/C12H11N3O/c1-10(16)15(11-6-2-4-8-13-11)12-7-3-5-9-14-12/h2-9H,1H3

InChIKey

STONUJDBYXVEBD-UHFFFAOYSA-N

Compound name

N,N-dipyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 213.09021 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.09749	145.9
[M+Na]+	236.07943	152.7
[M-H]-	212.08293	151.1
[M+NH4]+	231.12403	161.5
[M+K]+	252.05337	150.5
[M+H-H2O]+	196.08747	136.5
[M+HCOO]-	258.08841	169.2
[M+CH3COO]-	272.10406	191.1
[M+Na-2H]-	234.06488	153.8
[M]+	213.08966	145.8
[M]-	213.09076	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe